PDB entry 3kl6

View 3kl6 on RCSB PDB site
Description: Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor
Class: hydrolase
Keywords: coagulation factor Xa, Blood coagulation, Cleavage on pair of basic residues, Disulfide bond, EGF-like domain, Gamma-carboxyglutamic acid, Glycoprotein, Hydrolase, Hydroxylation, Protease, Secreted, Serine protease, Zymogen
Deposited on 2009-11-06, released 2009-12-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-04-24, with a file datestamp of 2013-04-19.
Experiment type: XRAY
Resolution: 1.45 Å
R-factor: 0.195
AEROSPACI score: 0.65 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: coagulation factor x heavy chain
    Species: Homo sapiens [TaxId:9606]
    Gene: F10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3kl6a_
  • Chain 'B':
    Compound: coagulation factor x light chain
    Species: Homo sapiens [TaxId:9606]
    Gene: F10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3kl6b_
  • Heterogens: 443, EDO, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3kl6A (A:)
ivggqeckdgecpwqallineenegfcggtilsefyiltaahclyqakrfkvrvgdrnte
qeeggeavhevevvikhnrftketydfdiavlrlktpitfrmnvapaclperdwaestlm
tqktgivsgfgrthekgrqstrlkmlevpyvdrnscklsssfiitqnmfcagydtkqeda
cqgdsggphvtrfkdtyfvtgivswgegcarkgkygiytkvtaflkwidrsmktrglpka
k

    Sequence, based on observed residues (ATOM records): (download) 
    >3kl6A (A:)
ivggqeckdgecpwqallineenegfcggtilsefyiltaahclyqakrfkvrvgdrnte
qeeggeavhevevvikhnrftketydfdiavlrlktpitfrmnvapaclperdwaestlm
tqktgivsgfgrthekgrqstrlkmlevpyvdrnscklsssfiitqnmfcagydtkqeda
cqgdsggphvtrfkdtyfvtgivswgegcarkgkygiytkvtaflkwidrsm

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3kl6B (B:)
grarklcsldngdcdqfcheeqnsvvcscargytladngkaciptgpypcgkqtler

    Sequence, based on observed residues (ATOM records): (download) 
    >3kl6B (B:)
klcsldngdcdqfcheeqnsvvcscargytladngkaciptgpypcgkqt